与GaN几乎晶格匹配的BInGaN合金用于高功率高效率可见光LED
BInGaN alloys nearly lattice-matched to GaN for high-power high-efficiency visible LEDs
摘要：
基于InGaN的可见光LED在固态照明和显示器方面有商业应用，但晶格失配限制了可以在GAN上生长的具有高结晶质量的InGaN量子阱的厚度。由于对于给定的电流密度，较窄的阱在较高的载流子密度下工作，因此它们增加了损耗到俄歇复合的载流子的分数并且降低了效率。将较小的III族元素硼掺入InGaN合金中是消除晶格失配并实现具有厚有源区的高功率、高效率可见光LED的有希望的方法。在这项工作中，我们应用预测计算的基础上的混合密度泛函理论的BInGaN合金的热力学，结构和电子性质的调查。我们的研究结果表明，BInGaN合金与B：In的比例为2：3是更好的晶格匹配GAN相比，InGaN和，铟分数小于0.2，近晶格匹配。与Vegard定律的偏差表现为相对于组成的面内晶格常数的弯曲。我们的热力学计算表明，硼在InGaN中的溶解度高于纯GAN。在保持B：In比率恒定的同时改变Ga摩尔分数使得能够在1.75-3.39 eV范围内调节（直接）带隙，其覆盖整个可见光谱。空穴强烈地局限于非键合N 2 p态，这是由硼原子附近的局部键平面化引起的。我们的研究结果表明，BInGaN合金是很有前途的制作氮化物异质结与厚有源区的高功率，高效率的LED。
英文摘要：
InGaN-based visible LEDs find commercial applications for solid-state lighting and displays, but lattice mismatch limits the thickness of InGaN quantum wells that can be grown on GaN with high crystalline quality. Since narrower wells operate at a higher carrier density for a given current density, they increase the fraction of carriers lost to Auger recombination and lower the efficiency. The incorporation of boron, a smaller group-III element, into InGaN alloys is a promising method to eliminate the lattice mismatch and realize high-power, high-efficiency visible LEDs with thick active regions. In this work we apply predictive calculations based on hybrid density functional theory to investigate the thermodynamic, structural, and electronic properties of BInGaN alloys. Our results show that BInGaN alloys with a B:In ratio of 2:3 are better lattice matched to GaN compared to InGaN and, for indium fractions less than 0.2, nearly lattice matched. Deviations from Vegard's law appear as bowing of the in-plane lattice constant with respect to composition. Our thermodynamics calculations demonstrate that the solubility of boron is higher in InGaN than in pure GaN. Varying the Ga mole fraction while keeping the B:In ratio constant enables the adjustment of the (direct) gap in the 1.75-3.39 eV range, which covers the entire visible spectrum. Holes are strongly localized in non-bonded N 2p states caused by local bond planarization near boron atoms. Our results indicate that BInGaN alloys are promising for fabricating nitride heterostructures with thick active regions for high-power, high-efficiency LEDs.
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